4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine

C18H23N — CID 116926287

IUPAC4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccc2cc(CC3CCC(N)CC3)ccc2c1
InChIInChI=1S/C18H23N/c1-13-2-6-17-12-15(3-7-16(17)10-13)11-14-4-8-18(19)9-5-14/h2-3,6-7,10,12,14,18H,4-5,8-9,11,19H2,1H3
InChIKeyMQBZOFWJYLXBKO-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.21
Rot. Bonds2

About 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine

4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 116926287) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
PubChem CID116926287
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccc2cc(CC3CCC(N)CC3)ccc2c1
InChIInChI=1S/C18H23N/c1-13-2-6-17-12-15(3-7-16(17)10-13)11-14-4-8-18(19)9-5-14/h2-3,6-7,10,12,14,18H,4-5,8-9,11,19H2,1H3
InChIKeyMQBZOFWJYLXBKO-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine (CID 116926287) is 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine is Cc1ccc2cc(CC3CCC(N)CC3)ccc2c1.
What is the InChIKey of 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is MQBZOFWJYLXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-2-6-17-12-15(3-7-16(17)10-13)11-14-4-8-18(19)9-5-14/h2-3,6-7,10,12,14,18H,4-5,8-9,11,19H2,1H3.
What are the key properties of 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine?
4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116926287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).